DOCKING, SYNTHESIS AND EVALUATION OF ANTIOXIDANT ACTIVITY OF 9-(PIPERAZIN-1-YL) ACRIDINE DERIVATIVES FROM 2-[(4-METHYL-2-NITROPHENYL) AMINO]BENZOIC ACID
R. Sivakumar*, Ch. M. M. Prasada Rao and K. Durga Prasad
ABSTRACT
A series of nitrogen-containing heterocyclic compounds such as substituted 9-(piperazin-1-yl) acridine derivatives were synthesized by [(4-Methyl-2-nitrophenyl) amino] benzoic acid, phosphorus oxychloride, piperazine, dichloro methane evaluated for their antioxidant activity by DPPH method. Among the screened compounds, electron rich acridine exhibited significant antioxidant activities. The in vitro. Molecular docking results shows that the compound CP-05(2-methyl -4-nitro-9-[(4-benzyl) piperazin-1-yl] acridine) shows siginificant anti oxidant activity than compare with the standard compound α-Tocopherol. In all the synthesized compounds, CP-05 shows best binding energy and IC 50 value -9.27 Kcal/mol and 155.03 nano molar concentration respectively. The compound CP-05 shows molecular interactions like H-Bonds ASN10; ASN59; GLY60 and Pi-Bonds at ASP27; ASN59; PRO89; ALA92; PRO187. The ADME results of the compounds obeys Lipinski rule of five and the compounds shows the low Mutagenic and no toxicity shows on Tumerogenic, Effect on Reproductive system, Eye Irritant.
Keywords: acridine derivatives, phosphorus oxychloride, anti oxidant activity, DPPH method, Molecular docking.
[Full Text Article]
[Download Certificate]
Impact Factor : 7.482 
